2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(diethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2COC3=CC=CC=C3O2)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2COC3=CC=CC=C3O2)OC

InChI

InChI=1S/C21H25NO7S/c1-4-22(5-2)30(24,25)20-12-15(10-11-19(20)26-3)21(23)28-14-16-13-27-17-8-6-7-9-18(17)29-16/h6-12,16H,4-5,13-14H2,1-3H3